Information card for entry 7025736

Structure parameters

• Formula: C57 H69 B11 Cl6 P4 Pd2 S2 Sn
• Calculated formula: C57 H69 B11 Cl6 P4 Pd2 S2 Sn
• SMILES: [Pd]12([S]3[Pd]4([S]2[Sn]25673[BH]389[BH]%10%11%12[BH]%1323[BH]23%10[BH]%105%13[BH]853[BH]36%10[BH]678[BH]79%11[BH]%1228[BH]5367)[P](CCC[P]4(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(CCC[P]1(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl.ClCCl.ClCCl
• Title of publication: Chalcogen chemistry of group(IV) closo-dodecaborates, synthesis, theory and coordination chemistry.
• Authors of publication: Dimmer, Jörg-Alexander; Hornung, Martin; Weigend, Florian; Wesemann, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 32
• Pages of publication: 7504 - 7512
• a: 15.7694 ± 0.0007 Å
• b: 20.8261 ± 0.0011 Å
• c: 21.859 ± 0.001 Å
• α: 90°
• β: 108.542 ± 0.003°
• γ: 90°
• Cell volume: 6806.2 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0496
• Weighted residual factors for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections included in the refinement: 0.0973
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No